REMARK  Name = BDB052402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.268  -0.313   0.936  0.00  0.00    +0.173 A 
ATOM      2  C   LIG    1       -2.308   0.357   0.124  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -2.429   1.322  -1.009  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -1.130   2.148  -1.199  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        0.143   1.387  -0.929  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        0.186   0.325  -0.040  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1        1.296  -0.351   0.290  0.00  0.00    -0.212 NA
ATOM      8  C   LIG    1        2.438   0.054  -0.290  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        2.502   1.083  -1.153  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        1.361   1.733  -1.450  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -1.072  -0.100   0.544  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -1.321  -0.970   1.562  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -0.366  -1.708   2.354  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.637  -1.110   1.825  0.00  0.00    -0.164 NA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -4.741  -0.235   0.894  0.00  0.00    +0.360 C 
ATOM     16  O   LIG    1       -5.488  -0.811   1.679  0.00  0.00    -0.243 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -5.192   0.551  -0.134  0.00  0.00    -0.460 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -7.173  -0.471  -1.079  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -6.616   0.671  -0.249  0.00  0.00    +0.229 C 
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   8  20
ATOM     20  N   LIG    1        3.566  -0.676   0.071  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        3.293  -1.408   0.709  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.919  -0.619  -0.277  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        5.798  -1.555   0.294  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        7.164  -1.554  -0.007  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        7.679  -0.610  -0.888  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.828   0.327  -1.465  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.461   0.321  -1.160  0.00  0.00    +0.023 A 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 5